SCHEMBL29091957

SCHEMBL29091957

CC(CO)(CO)CO.COc1ccc(OC)c(C=O)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 9/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ AOX1 Q06278 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PTPRF P10586 1/20 0.40
▸ FDPS P14324 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ TLR6 Q9Y2C9 1/20 0.37
▸ TRIM24 O15164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37
▸ LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29091956 0.92 ERN1 (0.41) ERN1ALDH1A1AOX1TSHRPTPRF
SCHEMBL29091958 0.91 ERN1 (0.40) ERN1ALDH1A1AOX1TSHRPTPRF
SCHEMBL26908605 0.86 ERN1 (0.39) ERN1ALDH1A1AOX1TSHRPTPRF
SCHEMBL29091959 0.84 ERN1 (0.53) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL30608694 0.82 ERN1 (0.55) ERN1ALDH1A1AOX1TSHRPTPRF
SCHEMBL26908504 0.78 ALDH1A1 (0.62) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL26908559 0.77 ERN1 (0.44) ERN1ALDH1A1AOX1TSHRPOLB
SCHEMBL29091962 0.77 ERN1 (0.37) ERN1ALDH1A1AOX1TSHRPOLB
SCHEMBL26908574 0.77 ALDH1A1 (0.53) ALDH1A1AOX1TSHRFDPSPOLB
SCHEMBL26908509 0.76 ALDH1A1 (0.60) ERN1ALDH1A1TSHRTLR2TLR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
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